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8-Hydroxyquinoline citrate

CAT: 0286-H17945-03Size: 5000 gDry Ice: NoHazardous: No
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CAT#:0286-H17945-03Size:5000 g
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CAS Number
134-30-5
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00054320
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

8-Hydroxyquinoline citrate
CAS Number134-30-5
PubChem CID61080
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;quinolin-8-ol
Molecular FormulaC15H15NO8
Molecular Weight337.28
Topological Polar Surface Area165
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity365
SMILES
C1=CC2=C(C(=C1)O)N=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C9H7NO.C6H8O7/c11-8-5-1-3-7-4-2-6-10-9(7)8;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-6,11H;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
GTOQWWQKBBZILU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Hydroxyquinoline citrate
CAS: 134-30-5
CID: 61080
Formula: C15H15NO8
MW: 337.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight337.28
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass337.07976644
Monoisotopic Mass337.07976644
Topological Polar Surface Area165 Ų
Heavy Atom Count24
Formal Charge0
Complexity365
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes